DICALCIUM PHOSPHATE DIHYDRATE
- Iupac Name：calcium;hydrogen phosphate;dihydrate
- CAS No.: 7789-77-7
- Molecular Weight：172.08800
- Modify Date.: 2022-11-12 07:20
- Introduction: Replenisher(calcium); pharmaceutic aid (tablet base).
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1. Names and Identifiers
- 1.1 Name
- DICALCIUM PHOSPHATE DIHYDRATE
- 1.2 Synonyms
acid calcium monophosphate Bekapress D 2 BicalciuM phosphate calcium hydrogen phosphate dihydrate Calcium hydrogen phosphate hydrate (1:1:2) Calcium hydrogenphosphate dihydrate calcium monohydrogen phosphate calcium monohydrogen phosphate dihydrate CALCIUM PHOSPH Calcium phosphate di Calcium phosphate, dibasic, dihydrate Calciumhydrogenphosphate,dih dibasic calcium phosphate Dibasic calcium phosphate dihydrate DICALCIUM PHOSPHAT dicalcium phosphate dicalcium phosphate anhydrous dicalciurn phosphate Di-tab EINECS 231-826-1 hydrogen calcium orthophosphate MFCD00149621 phosphoric acid calcium salt
- 1.3 CAS No.
- 7789-77-7
- 1.4 CID
- 104805
- 1.5 EINECS(EC#)
- 616-542-1
- 1.6 Molecular Formula
- CaH5O6P (isomer)
- 1.7 Inchi
- InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2
- 1.8 InChkey
- XAAHAAMILDNBPS-UHFFFAOYSA-L
- 1.9 Canonical Smiles
- O.O.OP(=O)([O-])[O-].[Ca+2]
- 1.10 Isomers Smiles
- O.O.OP(=O)([O-])[O-].[Ca+2]
2. Properties
- 2.1 Density
- 2.31
- 2.1 Melting point
- 109°C -H?O
- 2.1 Boiling point
- 158ºC at 760 mmHg
- 2.1 Refractive index
- 1.5394
- 2.1 Flash Point
- °C
- 2.1 Precise Quality
- 171.94500
- 2.1 PSA
- 111.69000
- 2.1 logP
- -0.18080
- 2.1 Appearance
- white crystalline solid
- 2.2 Storage
- Dibasic calcium phosphate dihydrate is a nonhygroscopic, relativelystable material. However, under certain conditions the dihydratecan lose water of crystallization. This has implications for bothstorage of the bulk material and coating and packaging of tabletscontaining dibasic calcium phosphate dihydrate.The bulk material should be stored in a well-closed container in acool, dry place.
- 2.3 Chemical Properties
- white crystalline solid
- 2.4 Color/Form
- White to almost white
- 2.5 Water Solubility
-
- 2.6 Stability
- Stable. Incompatible with acids.
- 2.7 StorageTemp
- Keep tightly closed.
3. Use and Manufacturing
- 3.1 Produe Method
- Calcium phosphates are usually manufactured by reacting very purephosphoric acid with calcium hydroxide, Ca(OH)2 obtained fromlimestone, in stoichiometric ratio in aqueous suspension followedby drying at a temperature that will allow the correct hydrationstate to be achieved. After drying, the coarse-grade material isobtained by means of a classification unit; the fine particle-sizematerial is obtained by milling.
- 3.2 Purification Methods
- Crystallise it from a near-saturated solution in 50% aqueous reagent grade phosphoric acid at 100o by filtering through fritted glass and cooling to room temperature. The crystals are filtered off, and this process is repeated three times using fresh acid. For the final crystallisation the solution is cooled slowly with constant stirring to give thin plate crystals that are filtered off on a fritted glass funnel, washed free of acid with anhydrous acetone and dry in a vacuum desiccator [Egan et al.J Am Chem Soc 78 1811 1956].
- 3.3 Usage
- Replenisher(calcium); pharmaceutic aid (tablet base).
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S26-S36
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Incompatibilities
- Dibasic calcium phosphate dihydrate should not be used toformulate tetracycline antibiotics. Dibasic calcium phosphatedihydrate has been reported to be incompatible with indomethacin, aspirin, aspartame, ampicillin, cephalexin, anderythromycin. The surface of dibasic calcium phosphatedihydrate is alkaline and consequently it should not be usedwith drugs that are sensitive to alkaline pH.
- 4.2 WGK Germany
- 1
- 4.2 Safety
- Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty
of water and seek medical advice
36:Wear suitable protective clothing
WGK Germany:1
- 4.3 Specification
-
white crystalline solid
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty
of water and seek medical advice
36:Wear suitable protective clothing
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
7789-77-7Total: 1 Synthesis Route
8. Other Information
- 8.0 Usage
- Calcium hydrogen phosphate dihydrate is used in the manufacture of pharmaceutical tablets and as a source of calcium and phosphorus in nutritional supplements.
9. Computational chemical data
- Molecular Weight: 172.08800g/mol
- Molecular Formula: CaH5O6P
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 171.9449657
- Monoisotopic Mass: 171.9449657
- Complexity: 46.5
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 85.4
- Heavy Atom Count: 8
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 4
- CACTVS Substructure Key Fingerprint: AAADcYAAOAIAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACCAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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11. Realated Product Infomation
-121YR
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